SCHEMBL6456494

SCHEMBL6456494

CCCCCCCC1CC[C@@H]2C[C@H](c3cc(F)c(-c4ccc(OC(F)(F)F)c(F)c4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.33
NAAA Q02083 1/20 0.33
PDE2A O00408 2/20 0.32
EPHX2 P34913 4/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MGLL Q99685 3/20 0.31
XDH P47989 1/20 0.30
HCRTR1 O43613 2/20 0.30
HCRTR2 O43614 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6459420 1.00 CTSK (0.33) CTSKNAAAPDE2AEPHX2GAA
SCHEMBL6456499 1.00 CTSK (0.33) CTSKNAAAPDE2AEPHX2GAA
SCHEMBL6459416 1.00 CTSK (0.33) CTSKNAAAPDE2AEPHX2GAA
SCHEMBL6453517 0.99 CTSK (0.33) CTSKNAAAPDE2AEPHX2GAA
SCHEMBL6453510 0.99 CTSK (0.33) CTSKNAAAPDE2AEPHX2GAA
SCHEMBL6453482 0.96 CTSK (0.34) CTSKNAAAPDE2AEPHX2HCRTR1
SCHEMBL6453475 0.96 CTSK (0.34) CTSKNAAAPDE2AEPHX2HCRTR1
SCHEMBL6452361 0.92 CTSK (0.35) CTSKNAAAPDE2AEPHX2HCRTR1
SCHEMBL6452365 0.92 CTSK (0.35) CTSKNAAAPDE2AEPHX2HCRTR1
SCHEMBL17175204 0.91 EPHX2 (0.34) CTSKNAAAPDE2AEPHX2GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed